Ligand
Ligand Name:   CATECHOL
Ligand Type:   non-polymer
Ligand ID:   COVPDB623 PubChem:   289
Synonym(s):  
  •   pyrocatechol
  • 120-80-9
  • 1,2-dihydroxybenzene
  • 1,2-benzenediol
  • benzene-1,2-diol
  • pyrocatechin
  • 2-hydroxyphenol
  • o-benzenediol
  • o-dihydroxybenzene
  • pyrocatechine
  • o-dioxybenzene
  • o-hydroquinone
  • o-hydroxyphenol
  • o-phenylenediol
  • oxyphenic acid
  • phthalhydroquinone
  • fouramine pch
  • benzenediol
  • durafur developer c
  • pelagol grey c
  • catechin (phenol)
  • fourrine 68
  • benzene, o-dihydroxy-
  • catechol (phenol)
  • o-diphenol
  • pyrokatechin
  • pyrokatechol
  • katechol
  • ortho-dihydroxybenzene
  • c.i. oxidation base 26
  • nci-c55856
  • unii-lf3aj089dq
  • nsc 1573
  • c.i. 76500
  • catechol-pyrocatechol
  • mfcd00002188
  • lf3aj089dq
  • chembl280998
  • dtxsid3020257
  • chebi:18135
  • ortho-hydroxyphenol
  • caq
  • catechol, 99+%
  • dsstox_cid_257
  • ortho-benzenediol
  • ortho-dioxybenzene
  • ortho-hydroquinone
  • dsstox_rid_75468
  • katechol [czech]
  • ortho-phenylenediol
  • pyrocatechinic acid
  • dsstox_gsid_20257
  • pyrokatechin [czech]
  • pyrokatechol [czech]
  • ci oxidation base 26
  • phthalic alcohol
  • cas-120-80-9
  • smr000326660
  • ccris 741
  • hsdb 1436
  • einecs 204-427-5
  • brn 0471401
  • oxyphenate
  • ci 76500
  • kachin
  • ortho-diphenol
  • benzene diol
  • ortho-quinol
  • ai3-03995
  • pyrocatechyl group
  • 4oow
  • alpha-hydroxyphenol
  • 1,2-benzenedio
  • o-dihydroxy-benzene
  • 1,a2-abenzenediol
  • phenol derivative, 2
  • 3fw4
  • 4k7i
  • acmc-1btyg
  • pyrocatechol, >=99%
  • lopac-c-9510
  • wln: qr bq
  • bmse000385
  • ec 204-427-5
  • 1,2-dihydroxybenzene, xi
  • 1,2-benzenediol; catechol
  • lopac0_000280
  • schembl18351
  • 12385-08-9
  • mls002153385
  • mls002303022
  • bidd:er0327
  • pyrocatechinic acidpyrocatechol
  • pyrocatechol, p.a., 99.0%
  • bdbm26188
  • durafur developer cfouramine pch
  • nsc1573
  • benzene-1,2-diol (pyrocatechol)
  • hms2233a17
  • hms3260h22
  • hms3373k16
  • nsc-1573
  • tox21_202317
  • tox21_300153
  • tox21_500280
  • anw-17534
  • bbl002408
  • s6305
  • sbb040792
  • stk398651
  • zinc13512214
  • akos000119002
  • ccg-204375
  • db02232
  • lp00280
  • mcule-9007211544
  • sdccgsbi-0050268.p002
  • ncgc00015283-01
  • ncgc00015283-02
  • ncgc00015283-03
  • ncgc00015283-04
  • ncgc00015283-05
  • ncgc00015283-06
  • ncgc00015283-07
  • ncgc00015283-08
  • ncgc00015283-10
  • ncgc00091262-01
  • ncgc00091262-02
  • ncgc00091262-03
  • ncgc00253952-01
  • ncgc00259866-01
  • ncgc00260965-01
  • bp-21156
  • catechol (pyrocatechol; benzene-1,2-diol)
  • db-003770
  • eu-0100280
  • ft-0606411
  • p0317
  • p0567
  • st50214346
  • t7344
  • 3437-ep2298767a1
  • 3437-ep2301934a1
  • 3437-ep2305633a1
  • 3437-ep2314587a1
  • c 9510
  • c00090
  • c01785
  • c15571
  • 1,2-dihydroxybenzene, reagentplus(r), >=99%
  • 28696-ep2314579a1
  • pyrocatechol, purified by sublimation, >=99.5%
  • a804599
  • ab-131/40235236
  • q282440
  • sr-01000075791
  • sr-01000075791-1
  • w-109068
  • 1,2-benzenediol, 1,2-dihydroxybenzene, pyrocatechol
  • f0001-0332
  • pyrocatechol, certified reference material, tracecert(r)
  • z1262246103
  • pyrocatechol, plant cell culture tested, bioreagent, >=99%, powder
  • 2h-1-benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-,(2r-trans)-
show 163 synonym(s)
DrugBank:   DB02232 ChEMBL:   CHEMBL280998
Canonical SMILES:   Oc1ccccc1O
Standard InChI:   InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
Molecular Formula:   C6H6O2 Mol. Weight:   110.03678 logP:   1.0978
HBD:   2 HBA:   2
#Rotatable Bonds:   0 TPSA:   40.46

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Urease subunit alpha A0A0H3YL32 (A0A0H3YL32_SPOPA) Sporosarcina pasteurii (Bacillus pasteurii) 5G4H CAQ
-
-
SHOW